1-benzofuran-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]methanone Formula: C21H20F3N2O2+ MolecularWeight: 389.39091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19F3N2O2/c22-21(23,24)17-7-5-15(6-8-17)14-25-9-11-26(12-10-25)20(27)19-13-16-3-1-2-4-18(16)28-19/h1-8,13H,9-12,14H2/p+1